tert-butyl (3S)-4-[(2-azanyl-5-nitro-phenyl)amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-sulfanylidene-butanoate

Systemtic Name: tert-butyl (3S)-4-[(2-azanyl-5-nitro-phenyl)amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-sulfanylidene-butanoate Openeye Name: tert-butyl (3S)-4-(2-amino-5-nitro-anilino)-3-(tert-butoxycarbonylamino)-4-thioxo-butanoate CAS Name: (3S)-4-(2-amino-5-nitroanilino)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-sulfanylidenebutanoic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-4-(2-amino-5-nitroanilino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-sulfanylidenebutanoate Traditional Name: (3S)-4-(2-amino-5-nitro-anilino)-3-(tert-butoxycarbonylamino)-4-thioxo-butyric acid tert-butyl ester Formula: C19H28N4O6S MolecularWeight: 440.51382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(C(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])N)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C[C@@H](C(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])N)NC(=O)OC(C)(C)C

InChI

InChI=1S/C19H28N4O6S/c1-18(2,3)28-15(24)10-14(22-17(25)29-19(4,5)6)16(30)21-13-9-11(23(26)27)7-8-12(13)20/h7-9,14H,10,20H2,1-6H3,(H,21,30)(H,22,25)/t14-/m0/s1